N-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide

C17H21NO3S — CID 97038595

IUPACN-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC[C@H](O)c1ccccc1
InChIInChI=1S/C17H21NO3S/c19-17(16-9-5-2-6-10-16)11-13-18-22(20,21)14-12-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2/t17-/m0/s1
InChIKeyXLLODVMADWIBDJ-KRWDZBQOSA-N
MW319.43 g/mol
LogP2.27
Rot. Bonds8

About N-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide

N-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide (PubChem CID 97038595) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide
PubChem CID97038595
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC[C@H](O)c1ccccc1
InChIInChI=1S/C17H21NO3S/c19-17(16-9-5-2-6-10-16)11-13-18-22(20,21)14-12-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2/t17-/m0/s1
InChIKeyXLLODVMADWIBDJ-KRWDZBQOSA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide (CID 97038595) is N-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC[C@H](O)c1ccccc1.
What is the InChIKey of N-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide?
The InChIKey is XLLODVMADWIBDJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO3S/c19-17(16-9-5-2-6-10-16)11-13-18-22(20,21)14-12-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2/t17-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide?
N-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-phenylpropyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 97038595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).